2-[4-[2-(4-methylcyclohexyl)ethenyl]cyclohexyl]ethanimine

C17H29N — CID 91567570

IUPAC2-[4-[2-(4-methylcyclohexyl)ethenyl]cyclohexyl]ethanimine
SMILES[H]/N=C/CC1CCC(C=CC2CCC(C)CC2)CC1
InChIInChI=1S/C17H29N/c1-14-2-4-15(5-3-14)6-7-16-8-10-17(11-9-16)12-13-18/h6-7,13-18H,2-5,8-12H2,1H3/b7-6?,18-13+
InChIKeySLEWFUHTEULQID-IUFVOXANSA-N
MW247.43 g/mol
LogP5.21
Rot. Bonds4

About 2-[4-[2-(4-methylcyclohexyl)ethenyl]cyclohexyl]ethanimine

2-[4-[2-(4-methylcyclohexyl)ethenyl]cyclohexyl]ethanimine (PubChem CID 91567570) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 2-[4-[2-(4-methylcyclohexyl)ethenyl]cyclohexyl]ethanimine.

Molecular Properties

Compound Name2-[4-[2-(4-methylcyclohexyl)ethenyl]cyclohexyl]ethanimine
PubChem CID91567570
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name2-[4-[2-(4-methylcyclohexyl)ethenyl]cyclohexyl]ethanimine
SMILES[H]/N=C/CC1CCC(C=CC2CCC(C)CC2)CC1
InChIInChI=1S/C17H29N/c1-14-2-4-15(5-3-14)6-7-16-8-10-17(11-9-16)12-13-18/h6-7,13-18H,2-5,8-12H2,1H3/b7-6?,18-13+
InChIKeySLEWFUHTEULQID-IUFVOXANSA-N
XLogP5.21
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-Ethenylcyclohexyl)ethanimine
CID 88961189
(8-But-3-en-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl)methanimine
CID 89207572
[4-[4-[4-[(E)-6-methyloct-3-en-3-yl]cyclohexyl]butyl]cyclohexyl]methanimine
CID 89408032
[4-(4-Propylcyclohexyl)cyclohex-2-en-1-yl]methanimine
CID 90290766
[4-(4-Prop-1-enylcyclohexyl)cyclohexyl]methanimine
CID 91260339
[4-(4,8-Dimethylnona-3,7-dienyl)cyclohex-3-en-1-yl]methanimine
CID 123155194
(3Z)-3-(2-ethylcyclohexylidene)propan-1-imine
CID 123302090
2-Ethyldec-7-en-1-imine
CID 123446420
(3-Methyl-6-prop-1-enylcycloheptyl)methanimine
CID 123866977
(2Z)-5-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]hexa-2,4-dien-1-imine
CID 131994387
2-[(6Z)-cyclotridec-6-en-1-yl]ethanimine
CID 134257788
(E)-5-cyclohexylhex-4-en-1-imine
CID 139470365

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methylcyclohexyl)ethenyl]cyclohexyl]ethanimine?
The IUPAC name of 2-[4-[2-(4-methylcyclohexyl)ethenyl]cyclohexyl]ethanimine (CID 91567570) is 2-[4-[2-(4-methylcyclohexyl)ethenyl]cyclohexyl]ethanimine.
What is the SMILES notation for 2-[4-[2-(4-methylcyclohexyl)ethenyl]cyclohexyl]ethanimine?
The canonical SMILES for 2-[4-[2-(4-methylcyclohexyl)ethenyl]cyclohexyl]ethanimine is [H]/N=C/CC1CCC(C=CC2CCC(C)CC2)CC1.
What is the InChIKey of 2-[4-[2-(4-methylcyclohexyl)ethenyl]cyclohexyl]ethanimine?
The InChIKey is SLEWFUHTEULQID-IUFVOXANSA-N. The full InChI is InChI=1S/C17H29N/c1-14-2-4-15(5-3-14)6-7-16-8-10-17(11-9-16)12-13-18/h6-7,13-18H,2-5,8-12H2,1H3/b7-6?,18-13+.
What are the key properties of 2-[4-[2-(4-methylcyclohexyl)ethenyl]cyclohexyl]ethanimine?
2-[4-[2-(4-methylcyclohexyl)ethenyl]cyclohexyl]ethanimine has a molecular weight of 247.43 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methylcyclohexyl)ethenyl]cyclohexyl]ethanimine is sourced from PubChem (CID 91567570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).